N',N'-diethylpropane-1,3-diamine;4-N,4-N-dimethylbenzene-1,4-diamine

C15H30N4 — CID 175099218

IUPACN',N'-diethylpropane-1,3-diamine;4-N,4-N-dimethylbenzene-1,4-diamine
SMILESCCN(CC)CCCN.CN(C)c1ccc(N)cc1
InChIInChI=1S/C8H12N2.C7H18N2/c1-10(2)8-5-3-7(9)4-6-8;1-3-9(4-2)7-5-6-8/h3-6H,9H2,1-2H3;3-8H2,1-2H3
InChIKeyVMGGYJRORXZYMI-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.01
Rot. Bonds6

About N',N'-diethylpropane-1,3-diamine;4-N,4-N-dimethylbenzene-1,4-diamine

N',N'-diethylpropane-1,3-diamine;4-N,4-N-dimethylbenzene-1,4-diamine (PubChem CID 175099218) has the molecular formula C15H30N4 and a molecular weight of 266.43 g/mol. Its IUPAC name is N',N'-diethylpropane-1,3-diamine;4-N,4-N-dimethylbenzene-1,4-diamine.

Molecular Properties

Compound NameN',N'-diethylpropane-1,3-diamine;4-N,4-N-dimethylbenzene-1,4-diamine
PubChem CID175099218
Molecular FormulaC15H30N4
Molecular Weight266.43 g/mol
Exact Mass266.25
IUPAC NameN',N'-diethylpropane-1,3-diamine;4-N,4-N-dimethylbenzene-1,4-diamine
SMILESCCN(CC)CCCN.CN(C)c1ccc(N)cc1
InChIInChI=1S/C8H12N2.C7H18N2/c1-10(2)8-5-3-7(9)4-6-8;1-3-9(4-2)7-5-6-8/h3-6H,9H2,1-2H3;3-8H2,1-2H3
InChIKeyVMGGYJRORXZYMI-UHFFFAOYSA-N
XLogP2.01
TPSA58.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N',N'-diethylpropane-1,3-diamine;4-N,4-N-dimethylbenzene-1,4-diamine?
The IUPAC name of N',N'-diethylpropane-1,3-diamine;4-N,4-N-dimethylbenzene-1,4-diamine (CID 175099218) is N',N'-diethylpropane-1,3-diamine;4-N,4-N-dimethylbenzene-1,4-diamine.
What is the SMILES notation for N',N'-diethylpropane-1,3-diamine;4-N,4-N-dimethylbenzene-1,4-diamine?
The canonical SMILES for N',N'-diethylpropane-1,3-diamine;4-N,4-N-dimethylbenzene-1,4-diamine is CCN(CC)CCCN.CN(C)c1ccc(N)cc1.
What is the InChIKey of N',N'-diethylpropane-1,3-diamine;4-N,4-N-dimethylbenzene-1,4-diamine?
The InChIKey is VMGGYJRORXZYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2.C7H18N2/c1-10(2)8-5-3-7(9)4-6-8;1-3-9(4-2)7-5-6-8/h3-6H,9H2,1-2H3;3-8H2,1-2H3.
What are the key properties of N',N'-diethylpropane-1,3-diamine;4-N,4-N-dimethylbenzene-1,4-diamine?
N',N'-diethylpropane-1,3-diamine;4-N,4-N-dimethylbenzene-1,4-diamine has a molecular weight of 266.43 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethylpropane-1,3-diamine;4-N,4-N-dimethylbenzene-1,4-diamine is sourced from PubChem (CID 175099218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).